Compound Identification
SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](O)[C@H](OCC2=CC=C(CO)C=C2)O[C@H](CO)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=XBXRBOARJLGZCL-RWMKFRKISA-M
Formula
C45H69N2O30
Mass
1118.032
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Sugar acids and derivatives
-
Level 6
Sugar amino acids and derivatives
-
Level 7
Pyranoid amino acids and derivatives
-
Level 8
Neuraminic acids and derivatives
-
Level 9
N-acylneuraminic acids and derivatives
- Level 10 N-acylneuraminic acids
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Level 9
N-acylneuraminic acids and derivatives
-
Level 8
Neuraminic acids and derivatives
-
Level 7
Pyranoid amino acids and derivatives
-
Level 6
Sugar amino acids and derivatives
-
Level 5
Sugar acids and derivatives
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Sugar acids and derivatives - Sugar amino acids and derivatives - Pyranoid amino acids and derivatives - Neuraminic acids and derivatives - N-acylneuraminic acids and derivatives
Direct Parent
N-acylneuraminic acids
Alternative Parents
Oligosaccharides Neuraminic acids N-acyl-alpha-hexosamines C-glucuronides C-glycosyl compounds O-glycosyl compounds Benzyl alcohols Ketals Pyrans Oxanes Acetamides Secondary carboxylic acid amides Secondary alcohols Carboxylic acid salts Monocarboxylic acids and derivatives Oxacyclic compounds Carboxylic acids Polyols Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols Carbonyl compounds Primary alcohols Organonitrogen compounds Organic oxides Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Oligosaccharide - N-acylneuraminic acid - Neuraminic acid - N-acyl-alpha-hexosamine - C-glucuronide - Glycosyl compound - O-glycosyl compound - C-glycosyl compound - Benzyl alcohol - Ketal - Monocyclic benzene moiety - Benzenoid - Oxane - Pyran - Acetamide - Secondary carboxylic acid amide - Carboxylic acid salt - Carboxamide group - Secondary alcohol - Carboxylic acid derivative - Polyol - Organoheterocyclic compound - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Acetal - Organic nitrogen compound - Alcohol - Organonitrogen compound - Primary alcohol - Aromatic alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acylneuraminic acids. These are neuraminic acids carrying an N-acyl substituent.
External Descriptors
Not available